0 mol 33 unq 0 iso 0 dist 5.31968 8.41282 5.75696 6.08005 10.0784 9.63263 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 9.86405 8.41282 8.65584 6.08005 14.7934 9.63263 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.27877 8.64047 11.155 13.4816 17.8488 8.00777 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 6.27877 8.64047 11.155 12.1235 15.5717 7.1589 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.13327 5.48788 5.09562 6.69791 9.49799 5.88354 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 7.13327 5.48788 5.09562 6.7822 12.129 7.89665 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 7.13327 5.48788 5.09562 9.86407 10.0009 5.39354 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 7.13327 5.48788 5.09562 10.9221 8.20865 5.74854 numMergedOcc 0
8 mol 98 unq 4 iso 0 dist 7.13327 5.48788 5.09562 9.71558 13.1775 8.76566 numMergedOcc 0
9 mol 98 unq 5 iso 0 dist 7.13327 5.48788 5.09562 11.3525 11.3099 8.8368 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 9.01608 8.28541 10.9398 4.41283 12.0802 7.71107 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.66109 6.96911 7.59931 8.96288 14.4092 7.73169 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 6.58002 7.67051 4.2381 7.75508 10.4941 8.38738 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.5734 9.96728 9.48981 7.24106 11.7641 6.60567 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 8.5734 9.96728 9.48981 12.7239 14.2773 7.62942 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.97502 7.44979 3.97757 10.4409 11.4831 8.0144 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.97502 7.44979 3.97757 11.4774 10.1714 7.80841 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 9.44669 8.82933 11.1831 6.62225 12.9994 6.70815 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 9.44669 8.82933 11.1831 12.4255 18.431 7.99477 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.70632 7.92391 6.94588 4.97892 7.72749 7.71657 numMergedOcc 0
